1-(Dodecyloxy)-4-methylbenzene
Basic information
- CAS
53034-97-2- Standard SMILES
CCCCCCCCCCCCOc1ccc(C)cc1- InChIKey
XGSLTJBILNOJCV-UHFFFAOYSA-N- Molecular formula
- C19H32O
- Average molar mass
- 276.5 g/mol
- Monoisotopic mass
- 276.24531564
Names & identifiers
- Preferred name
- 1-(Dodecyloxy)-4-methylbenzene
- IUPAC
- 1-dodecoxy-4-methylbenzene
- English name
- DODECYL P-TOLYL ETHER
- Molecular formula
- C19H32O
- Molecular weight
- 276.46
Names & synonyms
1-(dodecyloxy)-4-methylbenzene53034-97-2DTXSID20303888RefChem:226605DTXCID702550201-dodecoxy-4-methylbenzeneNSC163285DODECYL P-TOLYL ETHERSCHEMBL6745183SCHEMBL10511856SCHEMBL12432400AKOS014091461
Show more names
Benzene, 1-(dodecyloxy)-4-methyl-
NSC-163285
Database identifiers
- CAS
53034-97-2- PubChem CID
- 294550
- DTXSID
DTXSID20303888- EC Number
- 654-693-5
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 12
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 194
Physicochemical properties
- Melting point
- 23.5 °C · 23.5 °C
- Boiling point
- 368.7 · 368.7±11.0 °C(Predicted)
- Density
- 0.888 · 0.888±0.06 g/cm3(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (38 of 38) of all reports.
Not Classified
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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